124969 -OEChem-10051721013D 30 30 0 1 0 0 0 0 0999 V2000 1.6629 1.8427 -1.1801 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6628 1.0373 -0.8634 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8423 2.5001 0.5307 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6136 -0.2229 1.5005 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3098 -2.2428 -1.6166 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5144 -1.5772 0.4682 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5482 -0.1538 0.2499 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4783 0.5966 1.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8692 0.5395 0.5184 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9548 0.3029 0.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2755 1.5235 -0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7164 -0.4961 0.8811 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 1.4181 -0.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -2.5042 -0.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5612 1.4709 -0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0021 -0.5487 0.3426 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4244 0.4348 -0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7903 -3.9208 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3823 0.0165 -0.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1873 1.6517 1.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4911 0.2112 2.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2615 -1.9107 1.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6095 2.3327 -0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3974 -1.2668 1.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8898 2.2361 -1.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6743 -1.3555 0.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4253 0.3935 -0.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8422 -4.6119 -0.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 -4.1290 0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1624 -4.0717 0.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 13 1 0 0 0 0 3 13 1 0 0 0 0 4 10 2 0 0 0 0 5 14 2 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 11 15 1 0 0 0 0 11 23 1 0 0 0 0 12 16 2 0 0 0 0 12 24 1 0 0 0 0 14 18 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 M END > DB07380 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JTIIYPHJIDENCW-JTQLQIEISA-N/SDF?record_type=3d > [H][C@@](CC1=CC=CC=C1)(NC(C)=O)C(=O)C(F)(F)F > InChI=1S/C12H12F3NO2/c1-8(17)16-10(11(18)12(13,14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,16,17)/t10-/m0/s1 > JTIIYPHJIDENCW-JTQLQIEISA-N > C12H12F3NO2 > 259.2244 > 259.082013248 > 2 > 30 > -9.85933852269511e-06 > 22.456488813028137 > 1 > 1 > 0 > 1 > N-[(2S)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide > 1.94 > 2.358415817 > -3.98 > 0 > 0 > 1 > 0 > 17.018560400985418 > 12.006098491771306 > -1.9141980838019912 > 46.17 > 59.12140000000002 > 5 > 1 > 2.70e-02 g/l > biotin > 0 $$$$